SCHEMBL199259

SCHEMBL199259

Nc1ncnc2c1ncn2[C@]1(P(=O)(O)O)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.51
ADORA3 P0DMS8 4/20 0.49
ADORA2A P29274 3/20 0.49
PI4KA P42356 2/20 0.49
PI4K2B Q8TCG2 2/20 0.49
PI4K2A Q9BTU6 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
SLC28A1 O00337 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
DPP4 P27487 1/20 0.49
MEN1 O00255 1/20 0.49
MAP3K7 O43318 1/20 0.49
SLC28A2 O43868 1/20 0.49
GAPDH P04406 1/20 0.49
MAPK1 P28482 1/20 0.49
ADORA2B P29275 1/20 0.49
STAT6 P42226 1/20 0.49
KMT2A Q03164 1/20 0.49
DOT1L Q8TEK3 1/20 0.49
SLC29A1 Q99808 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phosphoric Acid SCHEMBL216583 0.99 ADORA1 (0.50) ADORA1ADORA3ADORA2API4KAPI4K2B
Pyrophosphoric Acid SCHEMBL668584 0.95 ADORA1 (0.52) ADORA1ADORA3ADORA2API4KAPI4K2B
SCHEMBL15665475 0.89 ADORA1 (0.52) ADORA1ADORA3ADORA2API4KAPI4K2B
SCHEMBL8572697 0.88 ADORA1 (0.38) ADORA1ADORA3ADORA2API4KAPI4K2B
SCHEMBL214972 0.88 P2RY1 (0.59) ADORA1SMN1; SMN2DNPH1PRKAB2TRPM2
SCHEMBL27971039 0.87 FDPS (0.42) ADORA1ADORA3ADORA2API4KAPI4K2B
SCHEMBL13738525 0.87 ADORA1 (0.38) ADORA1ADORA3ADORA2API4KAPI4K2B
SCHEMBL668586 0.84 P2RX1 (0.59) ADORA1SMN1; SMN2DNPH1PRKAB2TRPM2
SCHEMBL15665473 0.84 ADORA2A (0.38) ADORA1ADORA3ADORA2AADORA2BPDE4D
Cytidine SCHEMBL6689693 0.84 LMNA (0.57) ADORA1ADORA3ADORA2API4KAPI4K2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 381 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116773710-A Kit for covering metabolome and metabolic flow of multiple metabolites and use method 清华大学 2023-09-19 CN claimed
CN-115590876-A Application of adenosine phosphate compound or pharmaceutically acceptable salt thereof in preparation of medicine for treating or preventing osteosarcoma 青岛大学附属医院(CN) 2023-01-13 CN claimed
US-20220162655-A1 ENGINEERED BIOSYNTHETIC PATHWAYS FOR PRODUCTION OF L-HOMOCYSTEINE BY FERMENTATION ZYMERGEN INC. (US) 2022-05-26 US claimed
WO-2020198258-A1 ENGINEERED BIOSYNTHETIC PATHWAYS FOR PRODUCTION OF L-HOMOCYSTEINE BY FERMENTATION ZYMERGEN INC. (US) 2020-10-01 WO claimed
US-9823254-B2 Reversible chemoenzymatic labeling of native and fusion carrier protein motifs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-21 US claimed
EP-2548951-B1 Methods for cell expansion and uses of cells and conditioned media produced thereby for therapy PLURISTEM LTD (IL) 2016-05-04 EP claimed
US-20150253335-A1 REVERSIBLE CHEMOENZYMATIC LABELING OF NATIVE AND FUSION CARRIER PROTEIN MOTIFS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US claimed
EP-2626417-B1 Methods for cell expansion and uses of cells and conditioned media produced thereby for therapy PLURISTEM LTD (IL) 2015-09-02 EP claimed
WO-2014043561-A1 REVERSIBLE CHEMOENZYMATIC LABELING OF NATIVE AND FUSION CARRIER PROTEIN MOTIFS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-20 WO claimed
EP-1908842-B1 PEF-TU expression units BASF SE (DE) 2013-09-18 EP claimed
US-20070026505-A1 Amino acid and metabolite biosynthesis NOVUS INTERNATIONAL, INC. 2007-02-01 US claimed
WO-2007012078-A1 METHIONINE PRODUCING RECOMBINANT MICROORGANISMS BASF AG (DE) 2007-01-25 WO claimed
WO-2006138689-A2 IMPROVED AMINO ACID AND METABOLITE BIOSYNTHESIS MICROBIA, INC. (US) 2006-12-28 WO claimed
WO-2006017342-A2 ASSAY METHODS FOR ENZYMES ASSOCIATED WITH SULFATION Y'S THERAPEUTICS, INC. (US) 2006-02-16 WO claimed
WO-2003098184-A2 METHOD FOR IDENTIFYING MODULATORS OF SULFOTRANSFERASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-11-27 WO claimed
US-6365365-B1 DRUG SCREENING BY CONTACTING ENZYME ENCODED BY SPECIFIC NUCLEOTIDE SEQUENCE WITH SULFATE SOURCE, ACCEPTOR COMPOUND AND MODULATING AGENTS, THEN MEASURING EFFECT ON ENZYME ACTIVITY; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-02 US claimed
US-5925349-A ANTIARTHRITIC AGENTS, SKIN DISORDERS, INSULIN DEPENDENT DIABETES, ANTIULCER AGENTS AND WOUND HEALING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-07-20 US claimed
EP-0750511-A4 TREATING INFLAMMATION VIA THE ADMINISTRATION OF SPECIFIC SULFATASE ENZYMES AND/OR SULFATION INHIBITOR UNIV CALIFORNIA (US) 1999-05-06 EP claimed
EP-0750511-A1 TREATING INFLAMMATION VIA THE ADMINISTRATION OF SPECIFIC SULFATASE ENZYMES AND/OR SULFATION INHIBITOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-01-02 EP claimed
WO-1995024920-A1 TREATING INFLAMMATION VIA THE ADMINISTRATION OF SPECIFIC SULFATASE ENZYMES AND/OR SULFATION INHIBITOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-09-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150253335-A1 REVERSIBLE CHEMOENZYMATIC LABELING OF NATIVE AND FUSION CARRIER PROTEIN MOTIFS PLTP, PCTP, PEBP1 ADORA1 2970/4885ADORA3 3106/4885ADORA2A 2261/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.